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UNKNOWN STEREO
MCULE-4110327431-0
Structure
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- InChIKey:
- SMILES:
- InChI:
- Formula:
| Amount | Price
 Optimized compound price excluding delivery costs. Please note that automatic quote generation will optimize the total price based on your preferences.
|
Guaranteed purity (%) | Delivery time
Estimated door-to-door delivery time for EU and US customers. It will be refined and optimized during quote generation after the shipping country is specified.
|
|
|---|---|---|---|---|
| 1 mg | 13 USD | 98 | 22 working days | Get Quote |
| 5 mg | 16 USD | 98 | 22 working days | Get Quote |
| 10 mg | 25 USD | 98 | 22 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-4110327431-0.sdf |
| SMILES | MCULE-4110327431-0.smiles |
| Standard InChI | MCULE-4110327431-0.inchi |
| InChIKey | MCULE-4110327431-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867566059 | 98 | As is | in stock |
| P-875725623 | 98 | As is | in stock |
| P-1275158367 | 95 | As is | in stock |
| P-1275189032 | 98 | As is | in stock |
| P-580195520 | 98 | As is | in stock |
| P-1270398610 | 98 | As is | in stock |
| P-606836806 | N/A | As is | in stock |
| P-596947171 | 98 | As is | 55 g |
| P-864144581 | 95 | As is | in stock |
| P-893229183 | 95 | As is | in stock |
| P-505513054 | 95 | As is | in stock |
| P-869176116 | 95 | As is | in stock |
| P-892235204 | 95 | As is | 2.437 g |
| P-892292447 | 95 | As is | 2.437 g |
| P-892326243 | 95 | As is | 2.437 g |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 442.371 |
| logP | 2.5276 |
| H-bond acceptors | 10 |
| H-bond donors | 7 |
| Rotatable bonds | 4 |
| PSA | 177.14 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 110.0415 |
| Atoms | 50 |
| Rings | 4 |
| Heavy atoms | 32 |
| Hydrogen atoms | 18 |
| Heteroatoms | 10 |
| N/O atoms | 10 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 2 |
| R/S chiral centers | 2 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
